(phenylmethyl) N-[9-(2,2-dimethylpropanoylamino)-1-naphthalen-2-ylsulfanyl-3-oxidanyl-nonan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[9-(2,2-dimethylpropanoylamino)-1-naphthalen-2-ylsulfanyl-3-oxidanyl-nonan-2-yl]carbamate Openeye Name: benzyl N-[8-(2,2-dimethylpropanoylamino)-2-hydroxy-1-(2-naphthylsulfanylmethyl)octyl]carbamate CAS Name: N-[9-[(2,2-dimethyl-1-oxopropyl)amino]-3-hydroxy-1-(2-naphthalenylthio)nonan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[9-(2,2-dimethylpropanoylamino)-3-hydroxy-1-naphthalen-2-ylsulfanylnonan-2-yl]carbamate Traditional Name: N-[2-hydroxy-1-[(2-naphthylthio)methyl]-8-(pivaloylamino)octyl]carbamic acid benzyl ester Formula: C32H42N2O4S MolecularWeight: 550.75188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NCCCCCCC(C(CSC1=CC2=CC=CC=C2C=C1)NC(=O)OCC3=CC=CC=C3)O

Isomeric SMILES

CC(C)(C)C(=O)NCCCCCCC(C(CSC1=CC2=CC=CC=C2C=C1)NC(=O)OCC3=CC=CC=C3)O

InChI

InChI=1S/C32H42N2O4S/c1-32(2,3)30(36)33-20-12-5-4-9-17-29(35)28(34-31(37)38-22-24-13-7-6-8-14-24)23-39-27-19-18-25-15-10-11-16-26(25)21-27/h6-8,10-11,13-16,18-19,21,28-29,35H,4-5,9,12,17,20,22-23H2,1-3H3,(H,33,36)(H,34,37)